UCSF

ZINC02564969

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.15 1.36 -7.3 0 1 0 17 146.189 0

Vendor Notes

Note Type Comments Provided By
Boiling_Point 124-126?/11mm Alfa-Aesar
Boiling_Point 124-126°/11mm Alfa-Aesar
BP 126 / 11 TCI
Melting_Point 57-59? Alfa-Aesar
Melting_Point 57-59° Alfa-Aesar
MP 60 - 62 Enamine Building Blocks
MP 60...62 Enamine Building Blocks
MP 61 - 62 Enamine Building Blocks
MP 62 TCI
MP 62 - 62 Enamine Building Blocks
MP 62 - 64 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )